methyl 2-(6-pyrrol-1-ylpyridin-3-yl)carbonyl-3,4-dihydro-1H-isoquinoline-5-carboxylate

Systemtic Name: methyl 2-(6-pyrrol-1-ylpyridin-3-yl)carbonyl-3,4-dihydro-1H-isoquinoline-5-carboxylate Openeye Name: methyl 2-(6-pyrrol-1-ylpyridine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-5-carboxylate CAS Name: 2-[oxo-[6-(1-pyrrolyl)-3-pyridinyl]methyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid methyl ester IUPAC Name: methyl 2-(6-pyrrol-1-ylpyridine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-5-carboxylate Traditional Name: 2-(6-pyrrol-1-ylnicotinoyl)-3,4-dihydro-1H-isoquinoline-5-carboxylic acid methyl ester Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2CCN(CC2=CC=C1)C(=O)C3=CN=C(C=C3)N4C=CC=C4

Isomeric SMILES

COC(=O)C1=C2CCN(CC2=CC=C1)C(=O)C3=CN=C(C=C3)N4C=CC=C4

InChI

InChI=1S/C21H19N3O3/c1-27-21(26)18-6-4-5-16-14-24(12-9-17(16)18)20(25)15-7-8-19(22-13-15)23-10-2-3-11-23/h2-8,10-11,13H,9,12,14H2,1H3